1-[(2-methylphenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(4-isopropylphenyl)sulfonyl-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-[(2-methylphenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-methylbenzyl)-4-p-cumenylsulfonyl-piperazin-1-ium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H28N2O2S/c1-17(2)19-8-10-21(11-9-19)26(24,25)23-14-12-22(13-15-23)16-20-7-5-4-6-18(20)3/h4-11,17H,12-16H2,1-3H3/p+1